V028-1091 Screening compound: 2-[4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide

V028-1091 Screening compound: 2-[4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
V028-1091 Screening compound: 2-[4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-1091
2-[4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V028-1091

Molecular Formula

C32H33FN4O5S (C32 H33 FN4 O5 S)

Compound Name

2-[4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide

IUPAC name

2-[4-(34-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide

SMILES

COCCCNC(CN(c1c(C(c(cc2)cc(OC)c2OC)SC2)c(-c3ccccc3)nn1-c(cc1)ccc1F)C2=O)=O

InChI

InChI=1S/C32H33FN4O5S/c1-40-17-7-16-34-27(38)19-36-28(39)20-43-31(22-10-15-25(41-2)26(18-22)42-3)29-30(21-8-5-4-6-9-21)35-37(32(29)36)24-13-11-23(33)12-14-24/h4-6,8-15,18,31H,7,16-17,19-20H2,1-3H3,(H,34,38)/t31-/m1/s1

InChI Key

DXCZHTAAMODWPE-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD19789834

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

604.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.364

Water Solubility, LogSw

-4.32

Polar Surface Area

78.213

Acid Dissociation Constant (pKa)

15.65

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with V028-1091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-1091?
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What is the minimum amount of V028-1091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-1091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-1091
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V028-1091 available by request